CID 172429327

Chebi:232512

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC2C(C=C(N2C1)N)O
InChI
InChI=1S/C7H12N2O/c8-7-4-6(10)5-2-1-3-9(5)7/h4-6,10H,1-3,8H2
InChIKey
FIVPVAUDJZAZEV-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydro-1H-pyrrolizin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.5
[M+Na]+ 163.08418 136.5
[M-H]- 139.08768 130.2
[M+NH4]+ 158.12878 152.4
[M+K]+ 179.05812 134.3
[M+H-H2O]+ 123.09222 123.3
[M+HCOO]- 185.09316 150.0
[M+CH3COO]- 199.10881 172.4
[M+Na-2H]- 161.06963 131.6
[M]+ 140.09441 124.3
[M]- 140.09551 124.3
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

No patent data available for this compound.