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]+ 130.12265 127.7
[M+Na]+ 152.10459 135.4
[M-H]- 128.10809 132.3
[M+NH4]+ 147.14919 144.7
[M+K]+ 168.07853 134.3
[M+H-H2O]+ 112.11263 121.7
[M+HCOO]- 174.11357 151.9
[M+CH3COO]- 188.12922 179.7
[M+Na-2H]- 150.09004 133.9
[M]+ 129.11482 130.6
[M]- 129.11592 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