CID 210912

3-phenylbutan-2-amine

Structural Information

Molecular Formula
C10H15N
SMILES
CC(C1=CC=CC=C1)C(C)N
InChI
InChI=1S/C10H15N/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9H,11H2,1-2H3
InChIKey
BKRHEVJTTWAYFJ-UHFFFAOYSA-N
Compound name
3-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
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 134.1
[M+Na]+ 172.10967 139.7
[M-H]- 148.11317 137.1
[M+NH4]+ 167.15427 154.7
[M+K]+ 188.08361 138.2
[M+H-H2O]+ 132.11771 128.3
[M+HCOO]- 194.11865 156.8
[M+CH3COO]- 208.13430 180.2
[M+Na-2H]- 170.09512 138.5
[M]+ 149.11990 131.3
[M]- 149.12100 131.3
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