CID 31160

1-methyl-3-phenylpropylamine

Structural Information

Molecular Formula
C10H15N
SMILES
CC(CCC1=CC=CC=C1)N
InChI
InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKey
WECUIGDEWBNQJJ-UHFFFAOYSA-N
Compound name
4-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

2192
Patents

149.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 133.6
[M+Na]+ 172.10967 139.5
[M-H]- 148.11317 136.5
[M+NH4]+ 167.15427 154.3
[M+K]+ 188.08361 137.4
[M+H-H2O]+ 132.11771 127.7
[M+HCOO]- 194.11865 157.3
[M+CH3COO]- 208.13430 179.4
[M+Na-2H]- 170.09512 139.3
[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

literature stripe

Patent stripe

patents stripe