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]+ 162.127726 131.7
[M+Na]+ 184.109668 140.4
[M-H]- 160.113174 139.4
[M+NH4]+ 179.154273 147.7
[M+K]+ 200.083608 137.3
[M+H-H2O]+ 144.117710 125.1
[M+HCOO]- 206.118651 157.3
[M+CH3COO]- 220.134301 185.1
[M+Na-2H]- 182.095116 139.4
[M]+ 161.11990142 133.2
[M]- 161.12099858 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