CID 19045

Sk&f 90238

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC1=C2C(=CC=C1)C(CO2)N=C(N)N
InChI
InChI=1S/C10H13N3O/c1-6-3-2-4-7-8(13-10(11)12)5-14-9(6)7/h2-4,8H,5H2,1H3,(H4,11,12,13)
InChIKey
WOKUTZISLOMEDR-UHFFFAOYSA-N
Compound name
2-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.9
[M+Na]+ 214.09509 148.0
[M-H]- 190.09859 146.8
[M+NH4]+ 209.13969 161.5
[M+K]+ 230.06903 146.8
[M+H-H2O]+ 174.10313 134.6
[M+HCOO]- 236.10407 166.1
[M+CH3COO]- 250.11972 191.9
[M+Na-2H]- 212.08054 146.1
[M]+ 191.10532 138.4
[M]- 191.10642 138.4
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.