CID 172407884

8-hydroxyperamine

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CN1C(=CN2C=CC(=C2C1=O)O)CCCN=C(N)N
InChI
InChI=1S/C12H17N5O2/c1-16-8(3-2-5-15-12(13)14)7-17-6-4-9(18)10(17)11(16)19/h4,6-7,18H,2-3,5H2,1H3,(H4,13,14,15)
InChIKey
QVZYOKRYCQXJGS-UHFFFAOYSA-N
Compound name
2-[3-(8-hydroxy-2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1382 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 158.3
[M+Na]+ 286.12742 168.0
[M-H]- 262.13092 160.7
[M+NH4]+ 281.17202 174.6
[M+K]+ 302.10136 164.1
[M+H-H2O]+ 246.13546 150.4
[M+HCOO]- 308.13640 183.0
[M+CH3COO]- 322.15205 204.6
[M+Na-2H]- 284.11287 162.1
[M]+ 263.13765 159.5
[M]- 263.13875 159.5
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.