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

107
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 122.6
[M+Na]+ 150.08894 126.8
[M-H]- 126.09244 126.6
[M+NH4]+ 145.13354 132.3
[M+K]+ 166.06288 130.9
[M+H-H2O]+ 110.09698 109.7
[M+HCOO]- 172.09792 140.5
[M+CH3COO]- 186.11357 184.5
[M+Na-2H]- 148.07439 127.9
[M]+ 127.09917 134.4
[M]- 127.10027 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