CID 135436526

1-methyl-3-nitro-1-nitrosoguanidine

Structural Information

Molecular Formula
C2H5N5O3
SMILES
CN(C(=N)N[N+](=O)[O-])N=O
InChI
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
InChIKey
VZUNGTLZRAYYDE-UHFFFAOYSA-N
Compound name
1-methyl-3-nitro-1-nitrosoguanidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3679
References

22490
Patents

147.03925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04653 121.0
[M+Na]+ 170.02847 126.4
[M-H]- 146.03197 124.5
[M+NH4]+ 165.07307 141.1
[M+K]+ 186.00241 125.2
[M+H-H2O]+ 130.03651 119.0
[M+HCOO]- 192.03745 152.7
[M+CH3COO]- 206.05310 181.1
[M+Na-2H]- 168.01392 130.7
[M]+ 147.03870 118.5
[M]- 147.03980 118.5
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