CID 66779161

2227205-07-2

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCC(C1)N)O
InChI
InChI=1S/C6H13NO/c1-6(8)3-2-5(7)4-6/h5,8H,2-4,7H2,1H3
InChIKey
IYFHJEJEAYGRRF-UHFFFAOYSA-N
Compound name
3-amino-1-methylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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 123.3
[M+Na]+ 138.08894 130.4
[M-H]- 114.09244 125.2
[M+NH4]+ 133.13354 148.6
[M+K]+ 154.06288 129.1
[M+H-H2O]+ 98.096980 119.5
[M+HCOO]- 160.09792 145.7
[M+CH3COO]- 174.11357 167.3
[M+Na-2H]- 136.07439 128.2
[M]+ 115.09917 118.3
[M]- 115.10027 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