CID 156621390

Chebi:180910

Structural Information

Molecular Formula
C5H12N3O
SMILES
C1C[C@H]([N+](=C(N)N)C1)O
InChI
InChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4(8)9/h4,9H,1-3H2,(H3,6,7)/p+1/t4-/m1/s1
InChIKey
TYEGCDAQOQXVAF-SCSAIBSYSA-O
Compound name
(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.09804 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10532 125.4
[M+Na]+ 153.08726 131.1
[M-H]- 129.09076 125.6
[M+NH4]+ 148.13186 145.7
[M+K]+ 169.06120 124.1
[M+H-H2O]+ 113.09530 122.1
[M+HCOO]- 175.09624 146.2
[M+CH3COO]- 189.11189 163.8
[M+Na-2H]- 151.07271 130.2
[M]+ 130.09749 115.8
[M]- 130.09859 115.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.