CID 62489977

2-cyclopropyl-4-methylaniline

Structural Information

Molecular Formula
C10H13N
SMILES
CC1=CC(=C(C=C1)N)C2CC2
InChI
InChI=1S/C10H13N/c1-7-2-5-10(11)9(6-7)8-3-4-8/h2,5-6,8H,3-4,11H2,1H3
InChIKey
BMVJHYOOJJLVPJ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

147.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 127.1
[M+Na]+ 170.09402 137.1
[M-H]- 146.09752 134.9
[M+NH4]+ 165.13862 143.7
[M+K]+ 186.06796 133.8
[M+H-H2O]+ 130.10206 121.1
[M+HCOO]- 192.10300 152.4
[M+CH3COO]- 206.11865 182.6
[M+Na-2H]- 168.07947 133.7
[M]+ 147.10425 127.8
[M]- 147.10535 127.8
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