CID 15194687

N-(cyclopropylmethyl)aniline

Structural Information

Molecular Formula
C10H13N
SMILES
C1CC1CNC2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-2-4-10(5-3-1)11-8-9-6-7-9/h1-5,9,11H,6-8H2
InChIKey
UYFBSIJFMJLIAZ-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

147.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 127.6
[M+Na]+ 170.09402 135.7
[M-H]- 146.09752 135.0
[M+NH4]+ 165.13862 143.7
[M+K]+ 186.06796 132.9
[M+H-H2O]+ 130.10206 120.9
[M+HCOO]- 192.10300 153.5
[M+CH3COO]- 206.11865 181.2
[M+Na-2H]- 168.07947 136.4
[M]+ 147.10425 128.3
[M]- 147.10535 128.3
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