CID 214966

34694-91-2

Structural Information

Molecular Formula
C8H17N3O
SMILES
C1CC(OC1)CCCN=C(N)N
InChI
InChI=1S/C8H17N3O/c9-8(10)11-5-1-3-7-4-2-6-12-7/h7H,1-6H2,(H4,9,10,11)
InChIKey
RULVDGROGOLQOM-UHFFFAOYSA-N
Compound name
2-[3-(oxolan-2-yl)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.13716 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 140.0
[M+Na]+ 194.126378 143.4
[M-H]- 170.129884 143.6
[M+NH4]+ 189.170983 159.5
[M+K]+ 210.100318 143.6
[M+H-H2O]+ 154.134420 132.9
[M+HCOO]- 216.135361 164.2
[M+CH3COO]- 230.151011 186.5
[M+Na-2H]- 192.111826 143.4
[M]+ 171.13661142 135.3
[M]- 171.13770858 135.3
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.