CID 2530253

1-(2-methylphenyl)ethan-1-amine

Structural Information

Molecular Formula
C9H13N
SMILES
CC1=CC=CC=C1[C@@H](C)N
InChI
InChI=1S/C9H13N/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m1/s1
InChIKey
ZCDYTNZJBGSKFI-MRVPVSSYSA-N
Compound name
(1R)-1-(2-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

135.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 128.5
[M+Na]+ 158.09402 135.8
[M-H]- 134.09752 132.0
[M+NH4]+ 153.13862 150.1
[M+K]+ 174.06796 134.0
[M+H-H2O]+ 118.10206 123.1
[M+HCOO]- 180.10300 152.5
[M+CH3COO]- 194.11865 177.4
[M+Na-2H]- 156.07947 134.1
[M]+ 135.10425 126.4
[M]- 135.10535 126.4
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