CID 197701

Mti-446

Structural Information

Molecular Formula
C7H14N4O3
SMILES
CN=C(NCC1CCOC1)N[N+](=O)[O-]
InChI
InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKey
YKBZOVFACRVRJN-UHFFFAOYSA-N
Compound name
2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

306
References

20347
Patents

202.1066 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11388 142.2
[M+Na]+ 225.09582 144.8
[M-H]- 201.09932 146.9
[M+NH4]+ 220.14042 160.1
[M+K]+ 241.06976 142.2
[M+H-H2O]+ 185.10386 139.5
[M+HCOO]- 247.10480 169.2
[M+CH3COO]- 261.12045 184.5
[M+Na-2H]- 223.08127 149.9
[M]+ 202.10605 137.8
[M]- 202.10715 137.8
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