CID 447029

1-hydroxy-2-propan-2-ylguanidine

Structural Information

Molecular Formula
C4H11N3O
SMILES
CC(C)N=C(N)NO
InChI
InChI=1S/C4H11N3O/c1-3(2)6-4(5)7-8/h3,8H,1-2H3,(H3,5,6,7)
InChIKey
OITVEDMMUMUWTL-UHFFFAOYSA-N
Compound name
1-hydroxy-2-propan-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

113
Patents

117.09021 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.097486 125.2
[M+Na]+ 140.079428 130.5
[M-H]- 116.082934 125.3
[M+NH4]+ 135.124033 146.4
[M+K]+ 156.053368 131.2
[M+H-H2O]+ 100.087470 119.6
[M+HCOO]- 162.088411 150.4
[M+CH3COO]- 176.104061 176.6
[M+Na-2H]- 138.064876 130.0
[M]+ 117.08966142 121.4
[M]- 117.09075858 121.4
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

patents stripe