CID 37296

35878-48-9

Structural Information

Molecular Formula
C6H13N5O3
SMILES
CC(C)CCN(C(=N[N+](=O)[O-])N)N=O
InChI
InChI=1S/C6H13N5O3/c1-5(2)3-4-10(9-12)6(7)8-11(13)14/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKey
WYFTYNAZEMXYFM-UHFFFAOYSA-N
Compound name
1-(3-methylbutyl)-2-nitro-1-nitrosoguanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

203.10184 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10912 140.9
[M+Na]+ 226.09106 144.8
[M-H]- 202.09456 144.7
[M+NH4]+ 221.13566 159.2
[M+K]+ 242.06500 143.8
[M+H-H2O]+ 186.09910 138.0
[M+HCOO]- 248.10004 171.2
[M+CH3COO]- 262.11569 196.1
[M+Na-2H]- 224.07651 146.7
[M]+ 203.10129 140.1
[M]- 203.10239 140.1
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.