CID 11480448

(1r,3s,4s)-2-azabicyclo[2.2.1]heptan-3-ylmethanol

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2)CO
InChI
InChI=1S/C7H13NO/c9-4-7-5-1-2-6(3-5)8-7/h5-9H,1-4H2/t5-,6+,7+/m0/s1
InChIKey
CKGOIZORGVFPFX-RRKCRQDMSA-N
Compound name
[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 128.6
[M+Na]+ 150.08894 135.4
[M-H]- 126.09244 127.3
[M+NH4]+ 145.13354 153.2
[M+K]+ 166.06288 133.0
[M+H-H2O]+ 110.09698 124.1
[M+HCOO]- 172.09792 146.4
[M+CH3COO]- 186.11357 166.1
[M+Na-2H]- 148.07439 132.2
[M]+ 127.09917 124.3
[M]- 127.10027 124.3
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