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]+ 176.143376 136.0
[M+Na]+ 198.125318 144.2
[M-H]- 174.128824 143.5
[M+NH4]+ 193.169923 151.4
[M+K]+ 214.099258 140.8
[M+H-H2O]+ 158.133360 129.2
[M+HCOO]- 220.134301 161.3
[M+CH3COO]- 234.149951 188.0
[M+Na-2H]- 196.110766 143.1
[M]+ 175.13555142 137.8
[M]- 175.13664858 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