CID 24264764

2-benzylbutan-1-amine

Structural Information

Molecular Formula
C11H17N
SMILES
CCC(CC1=CC=CC=C1)CN
InChI
InChI=1S/C11H17N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3
InChIKey
GGYONGNXNLXRAS-UHFFFAOYSA-N
Compound name
2-benzylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

163.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 138.3
[M+Na]+ 186.12532 143.7
[M-H]- 162.12882 141.0
[M+NH4]+ 181.16992 158.4
[M+K]+ 202.09926 141.4
[M+H-H2O]+ 146.13336 132.2
[M+HCOO]- 208.13430 161.6
[M+CH3COO]- 222.14995 182.4
[M+Na-2H]- 184.11077 143.4
[M]+ 163.13555 136.5
[M]- 163.13665 136.5
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