CID 47231

N-methylcarbamic acid 4-(dimethylamino)carvacryl ester hydrochloride

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC1=CC(=C(C=C1OC(=O)NC)C(C)C)N(C)C
InChI
InChI=1S/C14H22N2O2/c1-9(2)11-8-13(18-14(17)15-4)10(3)7-12(11)16(5)6/h7-9H,1-6H3,(H,15,17)
InChIKey
REYDBPVFUMFCHU-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-2-methyl-5-propan-2-ylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 160.2
[M+Na]+ 273.15734 166.5
[M-H]- 249.16084 165.6
[M+NH4]+ 268.20194 178.1
[M+K]+ 289.13128 166.4
[M+H-H2O]+ 233.16538 153.3
[M+HCOO]- 295.16632 184.3
[M+CH3COO]- 309.18197 206.9
[M+Na-2H]- 271.14279 160.9
[M]+ 250.16757 163.6
[M]- 250.16867 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.