CID 138880

N-methyl-4-(propan-2-yl)aniline hydrochloride

Structural Information

Molecular Formula
C10H15N
SMILES
CC(C)C1=CC=C(C=C1)NC
InChI
InChI=1S/C10H15N/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8,11H,1-3H3
InChIKey
RQZGOIJRSJWNRB-UHFFFAOYSA-N
Compound name
N-methyl-4-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

149.12045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.5
[M+Na]+ 172.10967 139.4
[M-H]- 148.11317 136.3
[M+NH4]+ 167.15427 153.8
[M+K]+ 188.08361 137.7
[M+H-H2O]+ 132.11771 126.9
[M+HCOO]- 194.11865 156.8
[M+CH3COO]- 208.13430 181.2
[M+Na-2H]- 170.09512 138.6
[M]+ 149.11990 131.8
[M]- 149.12100 131.8
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