CID 12418453

20412-66-2

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCCC1N)O
InChI
InChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3
InChIKey
KKBCPZUWBKCECT-UHFFFAOYSA-N
Compound name
2-amino-1-methylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

115.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.3
[M+Na]+ 138.088938 130.4
[M-H]- 114.092444 125.2
[M+NH4]+ 133.133543 148.6
[M+K]+ 154.062878 129.1
[M+H-H2O]+ 98.096980 119.5
[M+HCOO]- 160.097921 145.7
[M+CH3COO]- 174.113571 167.3
[M+Na-2H]- 136.074386 128.2
[M]+ 115.09917142 118.3
[M]- 115.10026858 118.3
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