CID 11815328

102099-18-3

Structural Information

Molecular Formula
C6H13NO
SMILES
C1C[C@@H](C[C@@H]1CO)N
InChI
InChI=1S/C6H13NO/c7-6-2-1-5(3-6)4-8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
InChIKey
HVQDOKDLGGYIOY-RITPCOANSA-N
Compound name
[(1R,3S)-3-aminocyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

115.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.2
[M+Na]+ 138.08894 130.3
[M-H]- 114.09244 125.7
[M+NH4]+ 133.13354 147.4
[M+K]+ 154.06288 128.9
[M+H-H2O]+ 98.096980 119.3
[M+HCOO]- 160.09792 146.6
[M+CH3COO]- 174.11357 167.7
[M+Na-2H]- 136.07439 127.8
[M]+ 115.09917 118.9
[M]- 115.10027 118.9
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