CID 84072734

(2-azaspiro[3.3]heptan-6-yl)methanol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C(CC12CNC2)CO
InChI
InChI=1S/C7H13NO/c9-3-6-1-7(2-6)4-8-5-7/h6,8-9H,1-5H2
InChIKey
ROXSMYHOLGAUDT-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 121.9
[M+Na]+ 150.088938 126.2
[M-H]- 126.092444 123.6
[M+NH4]+ 145.133543 130.3
[M+K]+ 166.062878 129.7
[M+H-H2O]+ 110.096980 109.0
[M+HCOO]- 172.097921 137.3
[M+CH3COO]- 186.113571 179.9
[M+Na-2H]- 148.074386 128.4
[M]+ 127.09917142 133.9
[M]- 127.10026858 133.9
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