CID 12564269

3-(2-methylphenyl)propan-1-amine

Structural Information

Molecular Formula
C10H15N
SMILES
CC1=CC=CC=C1CCCN
InChI
InChI=1S/C10H15N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7-8,11H2,1H3
InChIKey
LUYOTDGHRZDHDB-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

149.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.6
[M+Na]+ 172.10967 139.7
[M-H]- 148.11317 135.8
[M+NH4]+ 167.15427 153.7
[M+K]+ 188.08361 137.2
[M+H-H2O]+ 132.11771 126.9
[M+HCOO]- 194.11865 157.3
[M+CH3COO]- 208.13430 179.6
[M+Na-2H]- 170.09512 138.9
[M]+ 149.11990 131.5
[M]- 149.12100 131.5
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