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

15
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 128.6
[M+Na]+ 150.088938 135.4
[M-H]- 126.092444 127.3
[M+NH4]+ 145.133543 153.2
[M+K]+ 166.062878 133.0
[M+H-H2O]+ 110.096980 124.1
[M+HCOO]- 172.097921 146.4
[M+CH3COO]- 186.113571 166.1
[M+Na-2H]- 148.074386 132.2
[M]+ 127.09917142 124.3
[M]- 127.10026858 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