CID 151367

1,3-diazido-2-propanol

Structural Information

Molecular Formula
C3H6N6O
SMILES
C(C(CN=[N+]=[N-])O)N=[N+]=[N-]
InChI
InChI=1S/C3H6N6O/c4-8-6-1-3(10)2-7-9-5/h3,10H,1-2H2
InChIKey
MNVPEHHHGCEGFZ-UHFFFAOYSA-N
Compound name
1,3-diazidopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

142.0603 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06758 123.2
[M+Na]+ 165.04952 128.4
[M-H]- 141.05302 127.4
[M+NH4]+ 160.09412 143.1
[M+K]+ 181.02346 120.8
[M+H-H2O]+ 125.05756 125.4
[M+HCOO]- 187.05850 157.8
[M+CH3COO]- 201.07415 179.4
[M+Na-2H]- 163.03497 136.2
[M]+ 142.05975 118.1
[M]- 142.06085 118.1
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