CID 53811127

(3-aminobutan-2-yl)(2-aminoethyl)amine

Structural Information

Molecular Formula
C6H17N3
SMILES
CC(C(C)NCCN)N
InChI
InChI=1S/C6H17N3/c1-5(8)6(2)9-4-3-7/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
FPDPORYIWWDDJC-UHFFFAOYSA-N
Compound name
3-N-(2-aminoethyl)butane-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

131.14224 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.149516 132.6
[M+Na]+ 154.131458 136.7
[M-H]- 130.134964 131.8
[M+NH4]+ 149.176063 153.0
[M+K]+ 170.105398 136.7
[M+H-H2O]+ 114.139500 126.8
[M+HCOO]- 176.140441 156.0
[M+CH3COO]- 190.156091 182.3
[M+Na-2H]- 152.116906 135.3
[M]+ 131.14169142 127.9
[M]- 131.14278858 127.9
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

No patent data available for this compound.