CID 55285394

3-(1-methylcyclopropyl)aniline hydrochloride

Structural Information

Molecular Formula
C10H13N
SMILES
CC1(CC1)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H13N/c1-10(5-6-10)8-3-2-4-9(11)7-8/h2-4,7H,5-6,11H2,1H3
InChIKey
RWDMBGXJGRNFSL-UHFFFAOYSA-N
Compound name
3-(1-methylcyclopropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

147.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 128.3
[M+Na]+ 170.094018 138.1
[M-H]- 146.097524 136.1
[M+NH4]+ 165.138623 146.5
[M+K]+ 186.067958 135.8
[M+H-H2O]+ 130.102060 123.0
[M+HCOO]- 192.103001 153.3
[M+CH3COO]- 206.118651 181.1
[M+Na-2H]- 168.079466 136.4
[M]+ 147.10425142 128.9
[M]- 147.10534858 128.9
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