CID 21149

2-phenylbutane-1,2-diamine

Structural Information

Molecular Formula
C10H16N2
SMILES
CCC(CN)(C1=CC=CC=C1)N
InChI
InChI=1S/C10H16N2/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7H,2,8,11-12H2,1H3
InChIKey
CBBWBITZUIWDJB-UHFFFAOYSA-N
Compound name
2-phenylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

164.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 137.1
[M+Na]+ 187.120568 142.9
[M-H]- 163.124074 139.6
[M+NH4]+ 182.165173 156.7
[M+K]+ 203.094508 140.3
[M+H-H2O]+ 147.128610 131.3
[M+HCOO]- 209.129551 160.5
[M+CH3COO]- 223.145201 183.1
[M+Na-2H]- 185.106016 143.9
[M]+ 164.13080142 133.3
[M]- 164.13189858 133.3
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