CID 13241

829-94-7

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN(C(=N)N)OCC1=CC=CC=C1
InChI
InChI=1S/C9H13N3O/c1-12(9(10)11)13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,10,11)
InChIKey
KAKUXLBVZHOLRL-UHFFFAOYSA-N
Compound name
1-methyl-1-phenylmethoxyguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.8
[M+Na]+ 202.09509 143.8
[M-H]- 178.09859 143.2
[M+NH4]+ 197.13969 158.0
[M+K]+ 218.06903 143.3
[M+H-H2O]+ 162.10313 131.6
[M+HCOO]- 224.10407 165.7
[M+CH3COO]- 238.11972 190.3
[M+Na-2H]- 200.08054 144.8
[M]+ 179.10532 136.7
[M]- 179.10642 136.7
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

patents stripe