CID 17754062

(5r)-5-amino-6-hydroxyhexylcarbamic acid

Structural Information

Molecular Formula
C7H16N2O3
SMILES
C(CCNC(=O)O)C[C@@H](CO)N
InChI
InChI=1S/C7H16N2O3/c8-6(5-10)3-1-2-4-9-7(11)12/h6,9-10H,1-5,8H2,(H,11,12)/t6-/m0/s1
InChIKey
XHKWPAAHPLALGC-LURJTMIESA-N
Compound name
[(5S)-5-amino-6-hydroxyhexyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

176.11609 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12337 140.9
[M+Na]+ 199.10531 144.8
[M-H]- 175.10881 137.5
[M+NH4]+ 194.14991 158.5
[M+K]+ 215.07925 143.9
[M+H-H2O]+ 159.11335 135.2
[M+HCOO]- 221.11429 161.6
[M+CH3COO]- 235.12994 180.6
[M+Na-2H]- 197.09076 143.0
[M]+ 176.11554 138.1
[M]- 176.11664 138.1
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