CID 1239851

N-cyclopentyl-2-methylaniline hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC=CC=C1NC2CCCC2
InChI
InChI=1S/C12H17N/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3
InChIKey
XLQBKVMDWIZQEV-UHFFFAOYSA-N
Compound name
N-cyclopentyl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

175.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.1
[M+Na]+ 198.12532 144.5
[M-H]- 174.12882 145.3
[M+NH4]+ 193.16992 160.6
[M+K]+ 214.09926 141.6
[M+H-H2O]+ 158.13336 132.5
[M+HCOO]- 220.13430 163.1
[M+CH3COO]- 234.14995 182.6
[M+Na-2H]- 196.11077 143.4
[M]+ 175.13555 135.0
[M]- 175.13665 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe