CID 91759509

6-methyl-2-azaspiro[3.3]heptan-6-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1(CC2(C1)CNC2)O
InChI
InChI=1S/C7H13NO/c1-6(9)2-7(3-6)4-8-5-7/h8-9H,2-5H2,1H3
InChIKey
DIBKPCOOJLLKDM-UHFFFAOYSA-N
Compound name
6-methyl-2-azaspiro[3.3]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

127.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.5
[M+Na]+ 150.088938 130.6
[M-H]- 126.092444 127.8
[M+NH4]+ 145.133543 135.7
[M+K]+ 166.062878 133.9
[M+H-H2O]+ 110.096980 114.1
[M+HCOO]- 172.097921 140.8
[M+CH3COO]- 186.113571 179.7
[M+Na-2H]- 148.074386 132.6
[M]+ 127.09917142 137.9
[M]- 127.10026858 137.9
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