CID 54593878

4-(cyclopropylamino)butan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC1NCCCCO
InChI
InChI=1S/C7H15NO/c9-6-2-1-5-8-7-3-4-7/h7-9H,1-6H2
InChIKey
SGVSGIKGXAFXQZ-UHFFFAOYSA-N
Compound name
4-(cyclopropylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 126.5
[M+Na]+ 152.104588 134.1
[M-H]- 128.108094 129.7
[M+NH4]+ 147.149193 143.0
[M+K]+ 168.078528 131.7
[M+H-H2O]+ 112.112630 120.8
[M+HCOO]- 174.113571 150.2
[M+CH3COO]- 188.129221 176.4
[M+Na-2H]- 150.090036 133.7
[M]+ 129.11482142 128.3
[M]- 129.11591858 128.3
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

patents stripe