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

39
Patents

163.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 138.3
[M+Na]+ 186.125318 143.7
[M-H]- 162.128824 141.0
[M+NH4]+ 181.169923 158.4
[M+K]+ 202.099258 141.4
[M+H-H2O]+ 146.133360 132.2
[M+HCOO]- 208.134301 161.6
[M+CH3COO]- 222.149951 182.4
[M+Na-2H]- 184.110766 143.4
[M]+ 163.13555142 136.5
[M]- 163.13664858 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