CID 13953874

(4-cyclopropylphenyl)methanamine

Structural Information

Molecular Formula
C10H13N
SMILES
C1CC1C2=CC=C(C=C2)CN
InChI
InChI=1S/C10H13N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7,11H2
InChIKey
XHGPNIFDHYUTOE-UHFFFAOYSA-N
Compound name
(4-cyclopropylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

147.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 127.3
[M+Na]+ 170.09402 136.4
[M-H]- 146.09752 134.7
[M+NH4]+ 165.13862 143.6
[M+K]+ 186.06796 133.1
[M+H-H2O]+ 130.10206 121.0
[M+HCOO]- 192.10300 152.6
[M+CH3COO]- 206.11865 181.5
[M+Na-2H]- 168.07947 134.5
[M]+ 147.10425 127.5
[M]- 147.10535 127.5
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