CID 115904532

1595712-12-1

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CN(C)CCCN(C)C(=O)OC
InChI
InChI=1S/C8H18N2O2/c1-9(2)6-5-7-10(3)8(11)12-4/h5-7H2,1-4H3
InChIKey
QRUYCLFAYXRXME-UHFFFAOYSA-N
Compound name
methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

174.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 141.6
[M+Na]+ 197.12605 146.9
[M-H]- 173.12955 144.6
[M+NH4]+ 192.17065 162.8
[M+K]+ 213.09999 149.7
[M+H-H2O]+ 157.13409 135.5
[M+HCOO]- 219.13503 167.5
[M+CH3COO]- 233.15068 192.6
[M+Na-2H]- 195.11150 145.3
[M]+ 174.13628 146.0
[M]- 174.13738 146.0
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

patents stripe