CID 16760148

939773-22-5

Structural Information

Molecular Formula
C7H15N3O
SMILES
CN=C(N)NCC1CCOC1
InChI
InChI=1S/C7H15N3O/c1-9-7(8)10-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H3,8,9,10)
InChIKey
DGBWASUSQBEAOY-UHFFFAOYSA-N
Compound name
2-methyl-1-(oxolan-3-ylmethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

157.1215 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 135.6
[M+Na]+ 180.110718 139.5
[M-H]- 156.114224 140.0
[M+NH4]+ 175.155323 156.1
[M+K]+ 196.084658 140.4
[M+H-H2O]+ 140.118760 128.8
[M+HCOO]- 202.119701 160.9
[M+CH3COO]- 216.135351 183.4
[M+Na-2H]- 178.096166 140.6
[M]+ 157.12095142 131.6
[M]- 157.12204858 131.6
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