CID 90741

2-phenylbutan-2-amine

Structural Information

Molecular Formula
C10H15N
SMILES
CCC(C)(C1=CC=CC=C1)N
InChI
InChI=1S/C10H15N/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8H,3,11H2,1-2H3
InChIKey
XTTQGFJZEYVZAP-UHFFFAOYSA-N
Compound name
2-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

149.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 133.0
[M+Na]+ 172.10967 139.7
[M-H]- 148.11317 136.2
[M+NH4]+ 167.15427 153.9
[M+K]+ 188.08361 137.5
[M+H-H2O]+ 132.11771 127.7
[M+HCOO]- 194.11865 156.1
[M+CH3COO]- 208.13430 178.8
[M+Na-2H]- 170.09512 140.6
[M]+ 149.11990 131.1
[M]- 149.12100 131.1
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