CID 28308138

N-(cyclopropylmethyl)-4-methylaniline

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC=C(C=C1)NCC2CC2
InChI
InChI=1S/C11H15N/c1-9-2-6-11(7-3-9)12-8-10-4-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKey
UVWDOXBEGQXRKN-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.7
[M+Na]+ 184.10967 140.4
[M-H]- 160.11317 139.4
[M+NH4]+ 179.15427 147.7
[M+K]+ 200.08361 137.3
[M+H-H2O]+ 144.11771 125.1
[M+HCOO]- 206.11865 157.3
[M+CH3COO]- 220.13430 185.1
[M+Na-2H]- 182.09512 139.4
[M]+ 161.11990 133.2
[M]- 161.12100 133.2
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