CID 22170041

3-(oxolan-2-yl)propan-1-amine

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC(OC1)CCCN
InChI
InChI=1S/C7H15NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6,8H2
InChIKey
RVTMIVWSLUDRBP-UHFFFAOYSA-N
Compound name
3-(oxolan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.7
[M+Na]+ 152.104588 133.8
[M-H]- 128.108094 131.6
[M+NH4]+ 147.149193 150.4
[M+K]+ 168.078528 134.1
[M+H-H2O]+ 112.112630 123.2
[M+HCOO]- 174.113571 151.3
[M+CH3COO]- 188.129221 172.2
[M+Na-2H]- 150.090036 133.9
[M]+ 129.11482142 125.8
[M]- 129.11591858 125.8
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