CID 4962853

3-(cyclopropylmethoxy)propan-1-amine

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC1COCCCN
InChI
InChI=1S/C7H15NO/c8-4-1-5-9-6-7-2-3-7/h7H,1-6,8H2
InChIKey
JEFPOPWVKGDXGE-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 127.3
[M+Na]+ 152.104588 135.3
[M-H]- 128.108094 131.3
[M+NH4]+ 147.149193 144.2
[M+K]+ 168.078528 133.5
[M+H-H2O]+ 112.112630 121.3
[M+HCOO]- 174.113571 151.8
[M+CH3COO]- 188.129221 178.3
[M+Na-2H]- 150.090036 133.8
[M]+ 129.11482142 129.9
[M]- 129.11591858 129.9
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