CID 10877163

130147-45-4

Structural Information

Molecular Formula
C5H15N3O
SMILES
C(C(CN)(CN)CO)N
InChI
InChI=1S/C5H15N3O/c6-1-5(2-7,3-8)4-9/h9H,1-4,6-8H2
InChIKey
VMQAGVBDNJCBSQ-UHFFFAOYSA-N
Compound name
3-amino-2,2-bis(aminomethyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

133.1215 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.12878 128.9
[M+Na]+ 156.11072 133.9
[M-H]- 132.11422 126.4
[M+NH4]+ 151.15532 148.4
[M+K]+ 172.08466 132.7
[M+H-H2O]+ 116.11876 123.8
[M+HCOO]- 178.11970 151.2
[M+CH3COO]- 192.13535 176.9
[M+Na-2H]- 154.09617 134.0
[M]+ 133.12095 123.2
[M]- 133.12205 123.2
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.