CID 43509680

3-[cyclopropyl(methyl)amino]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H15NO
SMILES
CN(CCCO)C1CC1
InChI
InChI=1S/C7H15NO/c1-8(5-2-6-9)7-3-4-7/h7,9H,2-6H2,1H3
InChIKey
XWQJNMDTMUYIFB-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(methyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 127.7
[M+Na]+ 152.104588 135.4
[M-H]- 128.108094 132.3
[M+NH4]+ 147.149193 144.7
[M+K]+ 168.078528 134.3
[M+H-H2O]+ 112.112630 121.7
[M+HCOO]- 174.113571 151.9
[M+CH3COO]- 188.129221 179.7
[M+Na-2H]- 150.090036 133.9
[M]+ 129.11482142 130.6
[M]- 129.11591858 130.6
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