CID 43560313

N-(cyclopropylmethyl)-4-ethylaniline

Structural Information

Molecular Formula
C12H17N
SMILES
CCC1=CC=C(C=C1)NCC2CC2
InChI
InChI=1S/C12H17N/c1-2-10-5-7-12(8-6-10)13-9-11-3-4-11/h5-8,11,13H,2-4,9H2,1H3
InChIKey
KPSULWYVAMOJLW-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-4-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 136.0
[M+Na]+ 198.12532 144.2
[M-H]- 174.12882 143.5
[M+NH4]+ 193.16992 151.4
[M+K]+ 214.09926 140.8
[M+H-H2O]+ 158.13336 129.2
[M+HCOO]- 220.13430 161.3
[M+CH3COO]- 234.14995 188.0
[M+Na-2H]- 196.11077 143.1
[M]+ 175.13555 137.8
[M]- 175.13665 137.8
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