CID 72208194

6-aminospiro[3.3]heptan-2-ol

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C(CC12CC(C2)O)N
InChI
InChI=1S/C7H13NO/c8-5-1-7(2-5)3-6(9)4-7/h5-6,9H,1-4,8H2
InChIKey
JQGJXMXVZNOHOQ-UHFFFAOYSA-N
Compound name
6-aminospiro[3.3]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 122.6
[M+Na]+ 150.088938 126.8
[M-H]- 126.092444 126.6
[M+NH4]+ 145.133543 132.3
[M+K]+ 166.062878 130.9
[M+H-H2O]+ 110.096980 109.7
[M+HCOO]- 172.097921 140.5
[M+CH3COO]- 186.113571 184.5
[M+Na-2H]- 148.074386 127.9
[M]+ 127.09917142 134.4
[M]- 127.10026858 134.4
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