CID 3023788

1-amino-5-chloropentan-2-ol

Structural Information

Molecular Formula
C5H12ClNO
SMILES
C(CC(CN)O)CCl
InChI
InChI=1S/C5H12ClNO/c6-3-1-2-5(8)4-7/h5,8H,1-4,7H2
InChIKey
UICVJWZTEOTGQS-UHFFFAOYSA-N
Compound name
1-amino-5-chloropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

137.06075 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.068026 128.6
[M+Na]+ 160.049968 135.5
[M-H]- 136.053474 126.9
[M+NH4]+ 155.094573 150.0
[M+K]+ 176.023908 132.9
[M+H-H2O]+ 120.058010 125.2
[M+HCOO]- 182.058951 146.3
[M+CH3COO]- 196.074601 172.3
[M+Na-2H]- 158.035416 133.1
[M]+ 137.06020142 128.3
[M]- 137.06129858 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