CID 85397180

N-(2-methylcyclopropyl)aniline

Structural Information

Molecular Formula
C10H13N
SMILES
CC1CC1NC2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-8-7-10(8)11-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKey
MIKDMZYQUWDYKN-UHFFFAOYSA-N
Compound name
N-(2-methylcyclopropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

147.1048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 127.5
[M+Na]+ 170.09402 136.5
[M-H]- 146.09752 135.3
[M+NH4]+ 165.13862 144.0
[M+K]+ 186.06796 133.7
[M+H-H2O]+ 130.10206 121.1
[M+HCOO]- 192.10300 153.4
[M+CH3COO]- 206.11865 182.2
[M+Na-2H]- 168.07947 135.6
[M]+ 147.10425 128.6
[M]- 147.10535 128.6
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