CID 12660

Nitrosoguanidine

Structural Information

Molecular Formula
CH4N4O
SMILES
C(=NN=O)(N)N
InChI
InChI=1S/CH4N4O/c2-1(3)4-5-6/h(H4,2,3,4,6)
InChIKey
WTLKTXIHIHFSGU-UHFFFAOYSA-N
Compound name
2-nitrosoguanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1155
References

14793
Patents

88.03851 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.045786 111.1
[M+Na]+ 111.02773 118.1
[M-H]- 87.031234 113.9
[M+NH4]+ 106.07233 134.1
[M+K]+ 127.00167 119.9
[M+H-H2O]+ 71.035770 105.1
[M+HCOO]- 133.03671 141.8
[M+CH3COO]- 147.05236 176.0
[M+Na-2H]- 109.01318 119.2
[M]+ 88.037961 108.2
[M]- 88.039059 108.2
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